N-[4-chloranyl-3-(propanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(propanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-(propanoylcarbamothioylamino)phenyl]butanamide CAS Name: N-[4-chloro-3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-(propanoylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[4-chloro-3-(propionylthiocarbamoylamino)phenyl]butyramide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC

InChI

InChI=1S/C14H18ClN3O2S/c1-3-5-13(20)16-9-6-7-10(15)11(8-9)17-14(21)18-12(19)4-2/h6-8H,3-5H2,1-2H3,(H,16,20)(H2,17,18,19,21)